SCHEMBL6000779

SCHEMBL6000779

CC(C)Cc1ccc(CN(C)c2ccc(-c3csc(CN(CC(=O)O)Cc4ccc(Cl)cc4)n3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
STAT3 P40763 1/20 0.40
GCGR P47871 4/20 0.40
GIPR P48546 4/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 3/20 0.39
PPARD Q03181 1/20 0.38
PTGS2 P35354 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
LMNA P02545 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6000709 0.93 MMP13 (0.43) PTPN2PTPN1GCGRGIPRRAB9A
SCHEMBL6000750 0.91 MMP1 (0.44) PTPN2PTPN1GCGRGIPRNPC1
SCHEMBL6000721 0.88 PTPN2 (0.42) PTPN2PTPN1STAT3GCGRGIPR
SCHEMBL6000732 0.88 STAT3 (0.40) STAT3GCGRGIPRNPC1RAB9A
SCHEMBL6000782 0.84 NPC1 (0.41) PTPN2PTPN1GCGRGIPRNPC1
SCHEMBL6000780 0.84 MMP1 (0.49) PTPN2PTPN1GCGRGIPRNPC1
SCHEMBL6000580 0.84 PTPN2 (0.36) PTPN2PTPN1STAT3GCGRGIPR
SCHEMBL6001010 0.83 PTPN2 (0.41) PTPN2PTPN1GCGRGIPRNPC1
SCHEMBL6001082 0.82 KMT2A (0.39) STAT3GCGRGIPRNPC1RAB9A
SCHEMBL5999054 0.82 PPARG (0.43) PTPN2PTPN1GCGRGIPRNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US claimed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 EP claimed
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US disclosed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof PTPN11, PTPN1, PTPN3 PTPN2 11/4885PTPN1 2/4885STAT3 907/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.